2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid

C14H16N2O10 — CID 135122046

IUPAC2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
SMILESCC(=O)[C@@]1(O)[C@@H](C(O)C(=O)O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(O)C(C)=O
InChIInChI=1S/C14H16N2O10/c1-5(17)13(24)9(8(20)10(21)22)26-11(14(13,25)6(2)18)16-4-3-7(19)15-12(16)23/h3-4,8-9,11,20,24-25H,1-2H3,(H,21,22)(H,15,19,23)/t8?,9-,11-,13-,14+/m1/s1
InChIKeyKMKOWUGJYOSTAJ-DCBBJJKDSA-N
MW372.29 g/mol
LogP-3.48
Rot. Bonds5

About 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid

2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid (PubChem CID 135122046) has the molecular formula C14H16N2O10 and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
PubChem CID135122046
Molecular FormulaC14H16N2O10
Molecular Weight372.29 g/mol
Exact Mass372.08
IUPAC Name2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
SMILESCC(=O)[C@@]1(O)[C@@H](C(O)C(=O)O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(O)C(C)=O
InChIInChI=1S/C14H16N2O10/c1-5(17)13(24)9(8(20)10(21)22)26-11(14(13,25)6(2)18)16-4-3-7(19)15-12(16)23/h3-4,8-9,11,20,24-25H,1-2H3,(H,21,22)(H,15,19,23)/t8?,9-,11-,13-,14+/m1/s1
InChIKeyKMKOWUGJYOSTAJ-DCBBJJKDSA-N
XLogP-3.48
TPSA196.22 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 5-3.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R,3R,4R,5R)-3,4-bis(2-carboxyphenyl)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]benzoic acid
CID 70569124
[2-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-4-methyloxolan-2-yl]-2-oxoethyl]-trihydroxyphosphanium
CID 123529218
1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(1-hydroxy-2-oxopropyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 101420388
1-[(5S)-5-(dihydroxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163855944
(2S,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3,4-dimethyloxolane-2-carboxylic acid
CID 121325170
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
1-[(2R,3R,4R,5R)-4-benzoyl-4-hydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidine-2,4-dione
CID 22981520
1-[(1S,2R,4R,5S)-1,5-dihydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
CID 23624086
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-(113C)methyloxolan-2-yl]pyrimidine-2,4-dione
CID 134258297
1-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxy-5-[hydroxy(trimethylsilyloxy)methyl]-3-trimethylsilyloxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22217424
[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate
CID 155765083
1-[(2R,4S,5R)-4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70457581

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid (CID 135122046) is 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid is CC(=O)[C@@]1(O)[C@@H](C(O)C(=O)O)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@]1(O)C(C)=O.
What is the InChIKey of 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid?
The InChIKey is KMKOWUGJYOSTAJ-DCBBJJKDSA-N. The full InChI is InChI=1S/C14H16N2O10/c1-5(17)13(24)9(8(20)10(21)22)26-11(14(13,25)6(2)18)16-4-3-7(19)15-12(16)23/h3-4,8-9,11,20,24-25H,1-2H3,(H,21,22)(H,15,19,23)/t8?,9-,11-,13-,14+/m1/s1.
What are the key properties of 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid?
2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid has a molecular weight of 372.29 g/mol, XLogP of -3.48, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,5R)-3,4-diacetyl-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 135122046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).